N-(5-bromo-1,3-thiazol-2-yl)-2-methylpropanamide

C7H9BrN2OS — CID 45117892

IUPACN-(5-bromo-1,3-thiazol-2-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ncc(Br)s1
InChIInChI=1S/C7H9BrN2OS/c1-4(2)6(11)10-7-9-3-5(8)12-7/h3-4H,1-2H3,(H,9,10,11)
InChIKeyMWIQVOZBGPQZMK-UHFFFAOYSA-N
MW249.13 g/mol
LogP2.50
Rot. Bonds2

About N-(5-bromo-1,3-thiazol-2-yl)-2-methylpropanamide

N-(5-bromo-1,3-thiazol-2-yl)-2-methylpropanamide (PubChem CID 45117892) has the molecular formula C7H9BrN2OS and a molecular weight of 249.13 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-2-methylpropanamide
PubChem CID45117892
Molecular FormulaC7H9BrN2OS
Molecular Weight249.13 g/mol
Exact Mass247.96
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ncc(Br)s1
InChIInChI=1S/C7H9BrN2OS/c1-4(2)6(11)10-7-9-3-5(8)12-7/h3-4H,1-2H3,(H,9,10,11)
InChIKeyMWIQVOZBGPQZMK-UHFFFAOYSA-N
XLogP2.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.13
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-bromo-1,3-thiazol-2-yl)-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-methylpropanamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-methylpropanamide (CID 45117892) is N-(5-bromo-1,3-thiazol-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-2-methylpropanamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-2-methylpropanamide is CC(C)C(=O)Nc1ncc(Br)s1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-2-methylpropanamide?
The InChIKey is MWIQVOZBGPQZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2OS/c1-4(2)6(11)10-7-9-3-5(8)12-7/h3-4H,1-2H3,(H,9,10,11).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-2-methylpropanamide?
N-(5-bromo-1,3-thiazol-2-yl)-2-methylpropanamide has a molecular weight of 249.13 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-2-methylpropanamide is sourced from PubChem (CID 45117892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).